Murcko scaffold
Ring system with 4 rings and 26 atoms
15 chemicals on CompoundList share this ring system.
- Rings
- 4
- Scaffold atoms
- 26
- Chemicals
- 15
- With full pages
- 3
Scaffold SMILES
C=C1CC(=O)NC1=Cc1ccc(C=c2ccc(=CC3=NC(=O)C=C3)[nH]2)[nH]1
A Bemis-Murcko scaffold is what remains of a molecule when every side chain is removed: the rings and the chains that link them. Chemicals that share a scaffold often belong to the same compound series, which helps when you look for analogues, alternative suppliers or related building blocks.
![Murcko scaffold C=C1CC(=O)NC1=Cc1ccc(C=c2ccc(=CC3=NC(=O)C=C3)[nH]2)[nH]1](/scaffold/RRPAWVDCHUUCDK-UHFFFAOYSA-N/structure.svg)
Computed from the structures of the chemicals listed here. Stereo and charges are removed before the scaffold is taken.
Chemicals with this scaffold
Open one to see its structure, properties and suppliers.
Showing 1 to 15 of 15 chemicals
Phycocyanobilin
C33H38N4O6
Phycocyanobilin
C33H38N4O6
![3-[2-[[3-(2-Carboxyethyl)-5-[(3-ethylidene-4-methyl-5-oxopyrrolidin-2-ylidene)methyl]-4-methyl-1H-pyrrol-2-yl]methylidene]-5-[(4-ethenyl-3-methyl-5-oxopyrrol-2-yl)methylidene]-4-methylpyrrol-3-yl]propanoic acid chemical structure, C33H36N4O6, CAS 6917-60-8](/s/LXWZWRRIEITWMN-UHFFFAOYSA-N.svg)
3-[2-[[3-(2-Carboxyethyl)-5-[(3-ethylidene-4-methyl-5-oxopyrrolidin-2-ylidene)methyl]-4-methyl-1H-pyrrol-2-yl]methylidene]-5-[(4-ethenyl-3-methyl-5-oxopyrrol-2-yl)methylidene]-4-methylpyrrol-3-yl]propanoic acid
CAS 6917-60-8C33H36N4O6
Phycocyanobilin
C33H38N4O6
Phycobilin
CAS 20298-86-6C33H38N4O6
21H-Biline-8,12-dipropanoic acid, 18-ethenyl-3-ethylidene-1,2,3,19,22,24-hexahydro-2,7,13,17-tetramethyl-1,19-dioxo-, (2R,3E)-
CAS 143392-71-6C33H36N4O6
18-Ethyl-3-ethylidene-1,2,3,19,23,24-hexahydro-2,7,13,17-tetramethyl-1,19-dioxo-21H-biline-8,12-dipropanoic acid
CAS 133561-60-1C33H38N4O6
Phycocyanobilin
C33H38N4O6
rac-Phycocyanobilin
CAS 215871-76-4C33H38N4O6
Spirulina powder
C33H38N4O6
Phycocyanobilin
C33H38N4O6
![3-[(2E)-2-[[3-(2-Carboxyethyl)-5-[(E)-[(3E)-3-ethylidene-4-methyl-5-oxopyrrolidin-2-ylidene]methyl]-4-methyl-1H-pyrrol-2-yl]methylidene]-5-[(4-ethyl-3-methyl-5-oxopyrrol-2-yl)methylidene]-4-methylpyrrol-3-yl]propanoic acid chemical structure, C33H38N4O6](/s/NNMALANKTSRILL-XXKGGRIDSA-N.svg)
3-[(2E)-2-[[3-(2-Carboxyethyl)-5-[(E)-[(3E)-3-ethylidene-4-methyl-5-oxopyrrolidin-2-ylidene]methyl]-4-methyl-1H-pyrrol-2-yl]methylidene]-5-[(4-ethyl-3-methyl-5-oxopyrrol-2-yl)methylidene]-4-methylpyrrol-3-yl]propanoic acid
C33H38N4O6
Phycocyanobilin
C33H38N4O6
Phycocyanobilin
C33H38N4O6
Phycocyanobilin
C33H38N4O6
Related scaffolds
Same ring framework with different atoms or bond orders
![Scaffold O=C1C=CC(C=c2ccc(=Cc3ccc(C=C4C=CC(=O)N4)[nH]3)[nH]2)=N1](/scaffold/MQHWQQCOXHUNCS-UHFFFAOYSA-N/structure.svg)
O=C1C=CC(C=c2ccc(=Cc3ccc(C=C4C=CC(=O)N4)[nH]3)[nH]2)=N17 chemicals![Scaffold O=C1C=CC(=Cc2ccc(Cc3ccc(C=C4C=CC(=O)N4)[nH]3)[nH]2)N1](/scaffold/BWUPYEPXOBDKBK-UHFFFAOYSA-N/structure.svg)
O=C1C=CC(=Cc2ccc(Cc3ccc(C=C4C=CC(=O)N4)[nH]3)[nH]2)N15 chemicals![Scaffold c1c[nH]c(Cc2ccc(Cc3ccc(Cc4ccc[nH]4)[nH]3)[nH]2)c1](/scaffold/AXMKEYXDFDKKIO-UHFFFAOYSA-N/structure.svg)
c1c[nH]c(Cc2ccc(Cc3ccc(Cc4ccc[nH]4)[nH]3)[nH]2)c13 chemicals![Scaffold O=C1C=CC(CC2=NC(=Cc3ccc(CC4C=CC(=O)N4)[nH]3)C=C2)N1](/scaffold/QPQUXLUEZGHJPZ-UHFFFAOYSA-N/structure.svg)
O=C1C=CC(CC2=NC(=Cc3ccc(CC4C=CC(=O)N4)[nH]3)C=C2)N12 chemicals![Scaffold C=C1CC(=O)N=C1C=c1ccc(=Cc2ccc(CC3C=CC(=O)N3)[nH]2)[nH]1](/scaffold/RJBKOISXZXYYSG-UHFFFAOYSA-N/structure.svg)
C=C1CC(=O)N=C1C=c1ccc(=Cc2ccc(CC3C=CC(=O)N3)[nH]2)[nH]12 chemicals![Scaffold O=C1CCC(CC2=NC(=Cc3ccc(CC4CCC(=O)N4)[nH]3)C=C2)N1](/scaffold/BPVSMDOLZJIOHF-UHFFFAOYSA-N/structure.svg)
O=C1CCC(CC2=NC(=Cc3ccc(CC4CCC(=O)N4)[nH]3)C=C2)N11 chemical
c1coc(Cc2ccc(Cc3ccc(Cc4ccco4)o3)o2)c11 chemical![Scaffold O=C1C=CC(Cc2ccc(Cc3ccc(CC4C=CC(=O)N4)[nH]3)[nH]2)N1](/scaffold/HJTWQDAPOGPDBF-UHFFFAOYSA-N/structure.svg)
O=C1C=CC(Cc2ccc(Cc3ccc(CC4C=CC(=O)N4)[nH]3)[nH]2)N11 chemical![Scaffold O=C1C=CC(C=c2ccc(=Cc3ccc(CC4C=CC(=O)N4)[nH]3)[nH]2)=N1](/scaffold/JDBWKOLXIGLCOW-UHFFFAOYSA-N/structure.svg)
O=C1C=CC(C=c2ccc(=Cc3ccc(CC4C=CC(=O)N4)[nH]3)[nH]2)=N11 chemical![Scaffold C1=CC(=CC2=NC(=Cc3ccc(C=C4C=CC=N4)[nH]3)C=C2)N=C1](/scaffold/PPRBOEHFGAHFGC-UHFFFAOYSA-N/structure.svg)
C1=CC(=CC2=NC(=Cc3ccc(C=C4C=CC=N4)[nH]3)C=C2)N=C11 chemical![Scaffold O=C1CCC(Cc2ccc(Cc3ccc(CC4CCC(=O)N4)[nH]3)[nH]2)N1](/scaffold/RHTVNCJQOYVVMT-UHFFFAOYSA-N/structure.svg)
O=C1CCC(Cc2ccc(Cc3ccc(CC4CCC(=O)N4)[nH]3)[nH]2)N11 chemical